2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile

C16H15ClN2O — CID 107058864

IUPAC2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile
SMILESCCC(C)c1ccccc1Oc1nccc(C#N)c1Cl
InChIInChI=1S/C16H15ClN2O/c1-3-11(2)13-6-4-5-7-14(13)20-16-15(17)12(10-18)8-9-19-16/h4-9,11H,3H2,1-2H3
InChIKeySJSAUBDCCBVFBA-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.91
Rot. Bonds4

About 2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile

2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile (PubChem CID 107058864) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile
PubChem CID107058864
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile
SMILESCCC(C)c1ccccc1Oc1nccc(C#N)c1Cl
InChIInChI=1S/C16H15ClN2O/c1-3-11(2)13-6-4-5-7-14(13)20-16-15(17)12(10-18)8-9-19-16/h4-9,11H,3H2,1-2H3
InChIKeySJSAUBDCCBVFBA-UHFFFAOYSA-N
XLogP4.91
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
CID 107058762
2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
CID 107061078
2-[(2-butan-2-ylphenoxy)methyl]benzonitrile
CID 43080642
1-[2-(2-butan-2-ylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62322019
3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 107061464
[2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol
CID 105383274
3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
CID 107058848
3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile
CID 107058766
3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile
CID 107059219
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
4-[(2-butan-2-ylphenoxy)methyl]benzonitrile
CID 43081608
3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile
CID 107058917

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile (CID 107058864) is 2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile is CCC(C)c1ccccc1Oc1nccc(C#N)c1Cl.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile?
The InChIKey is SJSAUBDCCBVFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-3-11(2)13-6-4-5-7-14(13)20-16-15(17)12(10-18)8-9-19-16/h4-9,11H,3H2,1-2H3.
What are the key properties of 2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile?
2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile has a molecular weight of 286.76 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107058864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).